1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine

C10H18N4S — CID 133454114

IUPAC1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
SMILESCc1nnc(NCC(C2CC2)N(C)C)s1
InChIInChI=1S/C10H18N4S/c1-7-12-13-10(15-7)11-6-9(14(2)3)8-4-5-8/h8-9H,4-6H2,1-3H3,(H,11,13)
InChIKeyIJSJOELLRLHMSN-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.60
Rot. Bonds5

About 1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine

1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine (PubChem CID 133454114) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
PubChem CID133454114
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
SMILESCc1nnc(NCC(C2CC2)N(C)C)s1
InChIInChI=1S/C10H18N4S/c1-7-12-13-10(15-7)11-6-9(14(2)3)8-4-5-8/h8-9H,4-6H2,1-3H3,(H,11,13)
InChIKeyIJSJOELLRLHMSN-UHFFFAOYSA-N
XLogP1.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607217
4-methyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine
CID 107159285
2-cyclopropyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 113587028
1-cyclopropyl-N-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 113587035
4,4-dimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine
CID 113924892
3-ethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine
CID 114168634
N-(1-cyclopropylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448200
1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butane-1,2-diamine
CID 114449660
1-N,1-N,4-trimethyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine
CID 114449666
4-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine
CID 114449911
3-methyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butane-1,2-diamine
CID 114449921
1-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114449925

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine (CID 133454114) is 1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine is Cc1nnc(NCC(C2CC2)N(C)C)s1.
What is the InChIKey of 1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine?
The InChIKey is IJSJOELLRLHMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-7-12-13-10(15-7)11-6-9(14(2)3)8-4-5-8/h8-9H,4-6H2,1-3H3,(H,11,13).
What are the key properties of 1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine?
1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine has a molecular weight of 226.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 133454114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).